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AGERATRIOL;(1R*,5R*,7S*,9S*)-9-HYDROXY-1,5-DIHYDROXYGERMACRA-4(15),10(14),11(13)-TRIENE
SpectraBase Compound ID B3bVn3XdWMJ
InChI InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14-,15-/m0/s1
InChIKey QVMGKSVFLSTTEO-XGUBFFRZSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTspw3qC1nV
Name AGERATRIOL;(1R*,5R*,7S*,9S*)-9-HYDROXY-1,5-DIHYDROXYGERMACRA-4(15),10(14),11(13)-TRIENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14-,15-/m0/s1
InChIKey QVMGKSVFLSTTEO-XGUBFFRZSA-N
Literature Reference Author L.M.VIEIRA,A.KIJJOA,J.A.PEREIRA,T.E.GEDRIS,W.HERZ
Literature Reference Citation PHYTOCHEM.,45,111(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00774-1
Molecular Weight 252.354 g/mol
Solvent DMSO-D6
Source File Reference UWSP1210